Materials Data on NdAl4 by Materials Project

doi:10.17188/1727087

Title: Materials Data on NdAl4 by Materials Project

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Abstract

Al4Nd crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.22–3.48 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.26–3.54 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.54–2.67 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are two shorter (2.64 Å) and two longer (2.67 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Nd and four Al atoms. Both Al–Al bond lengths are 2.65 Å. In the fourth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd and eight Al atoms. There are two shorter (2.66 Å) and fourmore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1103952

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; NdAl4; Al-Nd

OSTI Identifier:: 1727087

DOI:: https://doi.org/10.17188/1727087

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                    The Materials Project. Materials Data on NdAl4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1727087.

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                    The Materials Project. Materials Data on NdAl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727087

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                    The Materials Project. 2018.  
"Materials Data on NdAl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727087.  https://www.osti.gov/servlets/purl/1727087. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1727087,

  title        = {Materials Data on NdAl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al4Nd crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.22–3.48 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to fourteen Al atoms. There are a spread of Nd–Al bond distances ranging from 3.26–3.54 Å. There are eight inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.54–2.67 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to four equivalent Nd and five Al atoms. There are two shorter (2.64 Å) and two longer (2.67 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 12-coordinate geometry to four Nd and four Al atoms. Both Al–Al bond lengths are 2.65 Å. In the fourth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Nd and eight Al atoms. There are two shorter (2.66 Å) and four longer (2.94 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two Nd and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–3.01 Å. In the sixth Al site, Al is bonded in a 9-coordinate geometry to four Nd and five Al atoms. There are one shorter (2.53 Å) and two longer (2.66 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 9-coordinate geometry to four Nd and five Al atoms. The Al–Al bond length is 2.65 Å. In the eighth Al site, Al is bonded in a 12-coordinate geometry to four Nd and six Al atoms.},

  doi          = {10.17188/1727087},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1727087

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